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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase, PDE1/PDE5' and Ligand = 'BDBM279055'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279055
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(2-methoxy-3...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2OC)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-18(10-8-12-26-24)19-13-20(27-14-17-9-7-11-25-23(17)31-5)22-21(28-19)16(4)29-30(22)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.360n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279055
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(2-methoxy-3...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2OC)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-18(10-8-12-26-24)19-13-20(27-14-17-9-7-11-25-23(17)31-5)22-21(28-19)16(4)29-30(22)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.770n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279055
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(2-methoxy-3...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2OC)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-18(10-8-12-26-24)19-13-20(27-14-17-9-7-11-25-23(17)31-5)22-21(28-19)16(4)29-30(22)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279055
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(2-methoxy-3...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2OC)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-18(10-8-12-26-24)19-13-20(27-14-17-9-7-11-25-23(17)31-5)22-21(28-19)16(4)29-30(22)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279055
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(2-methoxy-3...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2OC)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-18(10-8-12-26-24)19-13-20(27-14-17-9-7-11-25-23(17)31-5)22-21(28-19)16(4)29-30(22)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair